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Showing 1 to 12 of 286 entries
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Alkali Cation Chelation in Cold β-O-4 Tetralignol Complexes.

The journal of physical chemistry. A

DeBlase AF, Dziekonski ET, Hopkins JR, Burke NL, Sheng H, Kenttämaa HI, McLuckey SA, Zwier TS.
PMID: 27539533
J Phys Chem A. 2016 Sep 15;120(36):7152-66. doi: 10.1021/acs.jpca.6b06942. Epub 2016 Aug 30.

We employ cold ion spectroscopy (UV action and IR-UV double resonance) in the gas phase to unravel the qualitative structural elements of G-type alkali metal cationized (X = Li(+), Na(+), K(+)) tetralignol complexes connected by β-O-4 linkages. The conformation-specific...

Time reversal in nonequilibrium thermodynamics.

Physical review. E, Statistical, nonlinear, and soft matter physics

Pavelka M, Klika V, Grmela M.
PMID: 25615068
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Dec;90(6):062131. doi: 10.1103/PhysRevE.90.062131. Epub 2014 Dec 19.

The general equation of nonequilibrium reversible-irreversible coupling (GENERIC) is studied in light of time-reversal transformation. It is shown that Onsager-Casimir reciprocal relations are implied by GENERIC in the near-equilibrium regime. A general structure which gives the reciprocal relations but...

Interobserver variability in the assessment of aneurysm occlusion with the WEB aneurysm embolisation system.

Journal of neurointerventional surgery

Caroff J, Mihalea C, Ikka L, Moret J, Spelle L.
PMID: 26080827
J Neurointerv Surg. 2017 Jul;9:e11-e12. doi: 10.1136/neurintsurg-2015-011862. Epub 2015 Jun 16.

No abstract available.

Identification of Protonated Sulfone and Aromatic Carboxylic Acid Functionalities in Organic Molecules by Using Ion-Molecule Reactions Followed by Collisionally Activated Dissociation in a Linear Quadrupole Ion Trap Mass Spectrometer.

Analytical chemistry

Yerabolu R, Kong J, Easton M, Kotha RR, Max J, Sheng H, Zhang M, Gu C, Kenttämaa HI.
PMID: 28621918
Anal Chem. 2017 Jul 18;89(14):7398-7405. doi: 10.1021/acs.analchem.7b00817. Epub 2017 Jul 06.

Gas-phase reactivity of protonated model compounds with different functional groups toward trimethoxymethylsilane (TMMS) was studied to explore the utility of this reagent in mass spectrometric identification of specific functionalities for potentially rapid characterization of drug metabolites. Only protonated analytes...

Abdominoplasty improves quality of life, psychological distress, and eating disorder symptoms: a prospective study.

Plastic surgery international

Saariniemi KM, Salmi AM, Peltoniemi HH, Helle MH, Charpentier P, Kuokkanen HO.
PMID: 25506426
Plast Surg Int. 2014;2014:197232. doi: 10.1155/2014/197232. Epub 2014 Nov 24.

Background. Only some studies provide sufficient data regarding the effects of nonpostbariatric (aesthetic) abdominoplasty on various aspects of quality of life. Nevertheless, when considering the effects on eating habits, publications are lacking. Therefore we decided to assess the effects...

The global relaxation redistribution method for reduction of combustion kinetics.

The Journal of chemical physics

Kooshkbaghi M, Frouzakis CE, Chiavazzo E, Boulouchos K, Karlin IV.
PMID: 25084876
J Chem Phys. 2014 Jul 28;141(4):044102. doi: 10.1063/1.4890368.

An algorithm based on the Relaxation Redistribution Method (RRM) is proposed for constructing the Slow Invariant Manifold (SIM) of a chosen dimension to cover a large fraction of the admissible composition space that includes the equilibrium and initial states....

[Congenital and hereditary nephropathy in children in a 10 year cohort from 3 clinics].

Ceskoslovenska pediatrie

Kluka V, Pavkovceková O, Tischler V, Ignatova MS, Degtjareva EM.
PMID: 6467436
Cesk Pediatr. 1984 May;39(5):284-8.

No abstract available.

Single relaxation time model for entropic lattice Boltzmann methods.

Physical review. E, Statistical, nonlinear, and soft matter physics

Ansumali S, Karlin IV.
PMID: 12059708
Phys Rev E Stat Nonlin Soft Matter Phys. 2002 May;65(5):056312. doi: 10.1103/PhysRevE.65.056312. Epub 2002 May 20.

For lattice Boltzmann methods based on entropy functions, we derive a collision integral which enables simple identification of transport coefficients, and which circumvents construction of the equilibrium. Implementation of the two-dimensional hydrodynamics demonstrates considerable increase of stability with respect...

Experimental and theoretical characterization of the 3,5-didehydrobenzoate anion: a negatively charged meta-benzyne.

Journal of the American Chemical Society

Price JM, Nizzi KE, Campbell JL, Kenttämaa HI, Seierstad M, Cramer CJ.
PMID: 12515514
J Am Chem Soc. 2003 Jan 08;125(1):131-40. doi: 10.1021/ja021112o.

A negatively charged analogue of meta-benzyne, 3,5-didehydrobenzoate, was synthesized in a Fourier transform ion cyclotron resonance mass spectrometer, and its reactivity was compared to that of the same ion generated previously in a flowing afterglow apparatus and to its...

Macroscopic dynamics through coarse-graining: a solvable example.

Physical review. E, Statistical, nonlinear, and soft matter physics

Gorban AN, Karlin IV.
PMID: 11863596
Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Feb;65(2):026116. doi: 10.1103/PhysRevE.65.026116. Epub 2002 Jan 18.

The recently derived fluctuation-dissipation formula [A. N. Gorban et al., Phys. Rev. E 63, 066124 (2001)] is illustrated by the explicit computation for McKean's kinetic model [H. P. McKean, J. Math. Phys. 8, 547 (1967)]. It is demonstrated that...

Boundary layer variational principles: a case study.

Physical review. E, Statistical, nonlinear, and soft matter physics

Grmela M, Karlin IV, Zmievski VB.
PMID: 12241345
Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Jul;66(1):011201. doi: 10.1103/PhysRevE.66.011201. Epub 2002 Jul 16.

Considering the model heat conduction problem in the setting of Grad's moment equations, we demonstrate a crossover in the structure of minima of the entropy production within the boundary layer. Based on this observation, we formulate and compare variation...

Kinetic boundary conditions in the lattice Boltzmann method.

Physical review. E, Statistical, nonlinear, and soft matter physics

Ansumali S, Karlin IV.
PMID: 12241289
Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Aug;66(2):026311. doi: 10.1103/PhysRevE.66.026311. Epub 2002 Aug 28.

Derivation of the lattice Boltzmann method from the continuous kinetic theory [X. He and L. S. Luo, Phys. Rev. E 55, R6333 (1997); X. Shan and X. He, Phys. Rev. Lett. 80, 65 (1998)] is extended in order to...

Showing 1 to 12 of 286 entries